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72412-41-0 | 5-Pyrimidinecarboxamide, 2-amino-N-(1-benzyl-3-pyrrolidinyl)-4-methoxy-, oxalate
CAS No: 72412-41-0 Catalog No: AG005HLC MDL No:
Product Description
Catalog Number:
AG005HLC
Chemical Name:
5-Pyrimidinecarboxamide, 2-amino-N-(1-benzyl-3-pyrrolidinyl)-4-methoxy-, oxalate
CAS Number:
72412-41-0
Molecular Formula:
C19H23N5O6
Molecular Weight:
417.4158
IUPAC Name:
2-amino-N-(1-benzylpyrrolidin-3-yl)-4-methoxypyrimidine-5-carboxamide;oxalic acid
InChI:
InChI=1S/C17H21N5O2.C2H2O4/c1-24-16-14(9-19-17(18)21-16)15(23)20-13-7-8-22(11-13)10-12-5-3-2-4-6-12;3-1(4)2(5)6/h2-6,9,13H,7-8,10-11H2,1H3,(H,20,23)(H2,18,19,21);(H,3,4)(H,5,6)
InChI Key:
NBKUIBVEZRIFFQ-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.COc1nc(N)ncc1C(=O)NC1CCN(C1)Cc1ccccc1
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
417.165g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
417.422g/mol
Monoisotopic Mass:
417.165g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
168A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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